(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19NO6 — CID 44578660

IUPAC(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2cc1O
InChIInChI=1S/C19H19NO6/c1-23-15-8-13-11(7-14(15)21)12(9-20-13)18(22)10-5-16(24-2)19(26-4)17(6-10)25-3/h5-9,20-21H,1-4H3
InChIKeyKJQRQXULEOYSKP-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.14
Rot. Bonds6

About (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44578660) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44578660
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2cc1O
InChIInChI=1S/C19H19NO6/c1-23-15-8-13-11(7-14(15)21)12(9-20-13)18(22)10-5-16(24-2)19(26-4)17(6-10)25-3/h5-9,20-21H,1-4H3
InChIKeyKJQRQXULEOYSKP-UHFFFAOYSA-N
XLogP3.14
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 44578660) is (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2cc1O.
What is the InChIKey of (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KJQRQXULEOYSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-23-15-8-13-11(7-14(15)21)12(9-20-13)18(22)10-5-16(24-2)19(26-4)17(6-10)25-3/h5-9,20-21H,1-4H3.
What are the key properties of (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 357.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44578660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).